(1s 2 2s 2 2p 4 3p 1 ) 4 P P 6+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 4131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 5.002629 | .40373635 |
| 2 | 3p | 2.689306 | -.90157378 |
| 3 | 4p | 3.258782 | -.20595816 |
| 4 | 2p | 9.359454 | .07730167 |
| 5 | 5p | 13.992964 | .00574141 |
| 6 | 5p | 36.834973 | -.00035560 |
| 7 | 4p | 55.975646 | -.00006161 |
| 8 | 5p | 2.677321 | -.01005489 |
| ORB.ENERGY,a.u. | -3.507500 | ||
| NORM | 1.000000 | < R > | 1.384832 | < R2 > | 2.200479 | < 1/R > | .986873 | < 1/R**2 > | 2.114932 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.645767 | 1.21214913 |
| 2 | 3p | 5.092623 | -.36775812 |
| 3 | 5p | 3.039221 | .00161014 |
| 4 | 2p | 10.432257 | .12480450 |
| 5 | 4p | 11.573020 | .04473356 |
| 6 | 5p | 13.713132 | -.01139165 |
| 7 | 3p | 35.650363 | .00008244 |
| ORB.ENERGY,a.u. | -10.470000 | ||
| NORM | 1.000000 | < R > | .443407 | < R2 > | .241865 | < 1/R > | 2.902117 | < 1/R**2 > | 11.622844 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.080913 | .38319823 |
| 2 | 2s | 6.247281 | -.84310762 |
| 3 | 3s | 5.715632 | -.29664986 |
| 4 | 4s | 16.918736 | .00989109 |
| 5 | 3s | 21.028887 | .00577939 |
| 6 | 5s | 29.586182 | .00089366 |
| 7 | 5s | 5.248936 | -.00807331 |
| 8 | 2s | 58.216915 | .00003537 |
| ORB.ENERGY,a.u. | -11.509000 | ||
| NORM | 1.000000 | < R > | .491096 | < R2 > | .284443 | < 1/R > | 2.974909 | < 1/R**2 > | 36.218433 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.208611 | .92318823 |
| 2 | 1s | 20.988341 | .07318148 |
| 3 | 2s | 9.117409 | .01975641 |
| 4 | 3s | 11.137473 | -.01941382 |
| 5 | 4s | 13.571993 | .00939994 |
| 6 | 5s | 36.035878 | .00079863 |
| 7 | 4s | 81.374154 | -.00003833 |
| ORB.ENERGY,a.u. | -84.413000 |
| NORM | 1.000000 | < R > | .103560 | < R2 > | .014403 | < 1/R > | 14.594792 | < 1/R**2 > | 429.567600 |
Total Energy= -320.11750221 a.u.
Kinetic Energy= 320.19296509 a.u.
Potential Energy= -640.31046730 a.u.
Virial Ratio = -1.99976432